3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol

C22H36N6O3S — CID 144529185

IUPAC3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol
SMILESCCCSc1nc(N)c(N)c(NC[C@H](O)C(CC)OCCO)n1.c1cncc(C2CC2)c1
InChIInChI=1S/C14H27N5O3S.C8H9N/c1-3-7-23-14-18-12(16)11(15)13(19-14)17-8-9(21)10(4-2)22-6-5-20;1-2-8(6-9-5-1)7-3-4-7/h9-10,20-21H,3-8,15H2,1-2H3,(H3,16,17,18,19);1-2,5-7H,3-4H2/t9-,10?;/m0./s1
InChIKeyFKSWBERKWWLERL-KKFCBZOWSA-N
MW464.64 g/mol
LogP2.66
Rot. Bonds12

About 3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol

3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol (PubChem CID 144529185) has the molecular formula C22H36N6O3S and a molecular weight of 464.64 g/mol. Its IUPAC name is 3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol.

Molecular Properties

Compound Name3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol
PubChem CID144529185
Molecular FormulaC22H36N6O3S
Molecular Weight464.64 g/mol
Exact Mass464.26
IUPAC Name3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol
SMILESCCCSc1nc(N)c(N)c(NC[C@H](O)C(CC)OCCO)n1.c1cncc(C2CC2)c1
InChIInChI=1S/C14H27N5O3S.C8H9N/c1-3-7-23-14-18-12(16)11(15)13(19-14)17-8-9(21)10(4-2)22-6-5-20;1-2-8(6-9-5-1)7-3-4-7/h9-10,20-21H,3-8,15H2,1-2H3,(H3,16,17,18,19);1-2,5-7H,3-4H2/t9-,10?;/m0./s1
InChIKeyFKSWBERKWWLERL-KKFCBZOWSA-N
XLogP2.66
TPSA152.43 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 52.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

4-cyclopropyl-1,2-difluorobenzene;2-[(1S)-4-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-2-(2-hydroxyethoxy)cyclopentyl]oxypropan-2-ol
CID 144805978
2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82456280
2-[3-[amino-(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]cyclopentyl]oxyethanol;4-cyclopropyl-1,2-difluorobenzene;methanol
CID 144552802
2-(4-pyridin-3-ylpiperidin-1-yl)ethanol
CID 150777844
2-ethoxy-1-pyridin-3-ylbutan-1-ol
CID 116711052
(1R,2R,3S,5R)-3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CID 90258403
1-(4-pyridin-3-ylcyclohexyl)pentan-1-one
CID 118147206
1-(aminomethyl)-4-pyridin-3-ylcyclohexan-1-ol
CID 82283334
amino-(4-pyridin-3-ylpiperidin-1-yl)methanol
CID 145342112
2-[(1R,2S,3S)-3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2-fluorocyclopentyl]oxyethanol;ethane;propane-2,2-diol
CID 144529089
2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol
CID 126627085
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol?
The IUPAC name of 3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol (CID 144529185) is 3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol.
What is the SMILES notation for 3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol?
The canonical SMILES for 3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol is CCCSc1nc(N)c(N)c(NC[C@H](O)C(CC)OCCO)n1.c1cncc(C2CC2)c1.
What is the InChIKey of 3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol?
The InChIKey is FKSWBERKWWLERL-KKFCBZOWSA-N. The full InChI is InChI=1S/C14H27N5O3S.C8H9N/c1-3-7-23-14-18-12(16)11(15)13(19-14)17-8-9(21)10(4-2)22-6-5-20;1-2-8(6-9-5-1)7-3-4-7/h9-10,20-21H,3-8,15H2,1-2H3,(H3,16,17,18,19);1-2,5-7H,3-4H2/t9-,10?;/m0./s1.
What are the key properties of 3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol?
3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol has a molecular weight of 464.64 g/mol, XLogP of 2.66, 12 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol is sourced from PubChem (CID 144529185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).