4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine

C13H25N5S — CID 144529172

IUPAC4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine
SMILESCCCSc1nc(N)c(N)c(NCCC(C)CC)n1
InChIInChI=1S/C13H25N5S/c1-4-8-19-13-17-11(15)10(14)12(18-13)16-7-6-9(3)5-2/h9H,4-8,14H2,1-3H3,(H3,15,16,17,18)
InChIKeyNRQIFOPPUJYZBB-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.99
Rot. Bonds8

About 4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine

4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine (PubChem CID 144529172) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine
PubChem CID144529172
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Name4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine
SMILESCCCSc1nc(N)c(N)c(NCCC(C)CC)n1
InChIInChI=1S/C13H25N5S/c1-4-8-19-13-17-11(15)10(14)12(18-13)16-7-6-9(3)5-2/h9H,4-8,14H2,1-3H3,(H3,15,16,17,18)
InChIKeyNRQIFOPPUJYZBB-UHFFFAOYSA-N
XLogP2.99
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine
CID 139420056
cis-(1S,3R)-4-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-fluorocyclopentane-1,2-diol
CID 144529055
3-cyclopropylpyridine;(2S)-1-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)pentan-2-ol
CID 144529185
4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 130234648
3-propylsulfanyl-2,4,7,8-tetrazabicyclo[4.2.0]octa-1,3,5,7-tetraen-5-amine
CID 123231335
6-chloro-4-N-[(2-methylpyrimidin-5-yl)methyl]-2-propylsulfanylpyrimidine-4,5-diamine
CID 122671787
4,5,6-trimethyl-2-propylsulfanylpyrimidine
CID 90393527
5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine
CID 144950117
N-[3-[4-[[amino-[5-amino-6-(2-aminoethylamino)-2-propylsulfanylpyrimidin-4-yl]amino]methyl]phenyl]prop-2-ynyl]formamide
CID 168958590
4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile
CID 100775741
6-[(3,4-difluorophenyl)methyl]-2-propylsulfanylpyrimidine-4,5-diamine
CID 161234449
2-propylsulfanyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,5-diamine
CID 145185559

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine (CID 144529172) is 4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine is CCCSc1nc(N)c(N)c(NCCC(C)CC)n1.
What is the InChIKey of 4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine?
The InChIKey is NRQIFOPPUJYZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-4-8-19-13-17-11(15)10(14)12(18-13)16-7-6-9(3)5-2/h9H,4-8,14H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine?
4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine has a molecular weight of 283.44 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 144529172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).