(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol

C10H19N5O — CID 80848437

IUPAC(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCNc1cc(N[C@H](CO)C(C)C)nc(N)n1
InChIInChI=1S/C10H19N5O/c1-6(2)7(5-16)13-9-4-8(12-3)14-10(11)15-9/h4,6-7,16H,5H2,1-3H3,(H4,11,12,13,14,15)/t7-/m1/s1
InChIKeyGVRDUCUJFAUSPQ-SSDOTTSWSA-N
MW225.30 g/mol
LogP0.53
Rot. Bonds5

About (2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol

(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol (PubChem CID 80848437) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is (2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
PubChem CID80848437
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCNc1cc(N[C@H](CO)C(C)C)nc(N)n1
InChIInChI=1S/C10H19N5O/c1-6(2)7(5-16)13-9-4-8(12-3)14-10(11)15-9/h4,6-7,16H,5H2,1-3H3,(H4,11,12,13,14,15)/t7-/m1/s1
InChIKeyGVRDUCUJFAUSPQ-SSDOTTSWSA-N
XLogP0.53
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 114986067
(2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol
CID 80848987
4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80813392
(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968489
4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine
CID 80802747
(2S)-2-[(6-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 80648091
(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923311
6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770072
4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 79033479
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780227
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855657
2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol
CID 80653720

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol (CID 80848437) is (2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol is CNc1cc(N[C@H](CO)C(C)C)nc(N)n1.
What is the InChIKey of (2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The InChIKey is GVRDUCUJFAUSPQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19N5O/c1-6(2)7(5-16)13-9-4-8(12-3)14-10(11)15-9/h4,6-7,16H,5H2,1-3H3,(H4,11,12,13,14,15)/t7-/m1/s1.
What are the key properties of (2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol has a molecular weight of 225.30 g/mol, XLogP of 0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80848437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).