2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol

C12H22N4O — CID 113426551

IUPAC2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCc1c(N)nc(C(C)C)nc1N(C)C(C)CO
InChIInChI=1S/C12H22N4O/c1-7(2)11-14-10(13)9(4)12(15-11)16(5)8(3)6-17/h7-8,17H,6H2,1-5H3,(H2,13,14,15)
InChIKeyWNSRESGPEHLFBI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.31
Rot. Bonds4

About 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol

2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol (PubChem CID 113426551) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
PubChem CID113426551
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCc1c(N)nc(C(C)C)nc1N(C)C(C)CO
InChIInChI=1S/C12H22N4O/c1-7(2)11-14-10(13)9(4)12(15-11)16(5)8(3)6-17/h7-8,17H,6H2,1-5H3,(H2,13,14,15)
InChIKeyWNSRESGPEHLFBI-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557168
4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993107
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207586
4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976255
4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993450
4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992209
4-N,5-dimethyl-2-propan-2-yl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068833
4-N,5-dimethyl-2-propan-2-yl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80987613
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104553285
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80981052
4-N-(cyclopropylmethyl)-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80982410

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol (CID 113426551) is 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol is Cc1c(N)nc(C(C)C)nc1N(C)C(C)CO.
What is the InChIKey of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
The InChIKey is WNSRESGPEHLFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7(2)11-14-10(13)9(4)12(15-11)16(5)8(3)6-17/h7-8,17H,6H2,1-5H3,(H2,13,14,15).
What are the key properties of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 113426551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).