(2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol

C21H31N5O — CID 175472988

IUPAC(2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1cc(Cc2ccc(CN3CCCC3)cc2)nc(N)n1
InChIInChI=1S/C21H31N5O/c1-2-5-18(15-27)23-20-13-19(24-21(22)25-20)12-16-6-8-17(9-7-16)14-26-10-3-4-11-26/h6-9,13,18,27H,2-5,10-12,14-15H2,1H3,(H3,22,23,24,25)/t18-/m1/s1
InChIKeyIVWNQDHWTDGDCN-GOSISDBHSA-N
MW369.51 g/mol
LogP2.82
Rot. Bonds9

About (2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol

(2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 175472988) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is (2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID175472988
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name(2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1cc(Cc2ccc(CN3CCCC3)cc2)nc(N)n1
InChIInChI=1S/C21H31N5O/c1-2-5-18(15-27)23-20-13-19(24-21(22)25-20)12-16-6-8-17(9-7-16)14-26-10-3-4-11-26/h6-9,13,18,27H,2-5,10-12,14-15H2,1H3,(H3,22,23,24,25)/t18-/m1/s1
InChIKeyIVWNQDHWTDGDCN-GOSISDBHSA-N
XLogP2.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Related Compounds

6-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-N-[(2R)-pentan-2-yl]pyrimidine-2,4-diamine
CID 175473014
2-[[4-[[2-amino-6-[[(2R)-pentan-2-yl]amino]pyrimidin-4-yl]methyl]phenyl]methyl]-2-azaspiro[3.3]heptan-6-one
CID 175944125
2-amino-4-(1-hydroxypentan-2-ylamino)-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrido[4,3-d]pyrimidin-5-one
CID 170186389
6-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 175473006
4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine
CID 105466429
(2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 124510585
2-amino-6-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-[[(2S)-pentan-2-yl]amino]pyrimido[4,5-d]pyridazin-5-one
CID 169192921
methyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]hexanoate
CID 133444300
methyl 2-[4-[[2-amino-4-(1-hydroxypentan-2-ylamino)-6-methylpyrimidin-5-yl]methyl]phenyl]acetate
CID 74821185
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672
3-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butan-1-amine
CID 83962751

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of (2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol (CID 175472988) is (2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for (2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for (2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol is CCC[C@H](CO)Nc1cc(Cc2ccc(CN3CCCC3)cc2)nc(N)n1.
What is the InChIKey of (2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is IVWNQDHWTDGDCN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31N5O/c1-2-5-18(15-27)23-20-13-19(24-21(22)25-20)12-16-6-8-17(9-7-16)14-26-10-3-4-11-26/h6-9,13,18,27H,2-5,10-12,14-15H2,1H3,(H3,22,23,24,25)/t18-/m1/s1.
What are the key properties of (2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol?
(2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 369.51 g/mol, XLogP of 2.82, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-amino-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 175472988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).