2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol

C15H28N4O — CID 80950546

IUPAC2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCCCNc1cc(N(C)CC(C)(C)O)nc(CCC)n1
InChIInChI=1S/C15H28N4O/c1-6-8-12-17-13(16-9-7-2)10-14(18-12)19(5)11-15(3,4)20/h10,20H,6-9,11H2,1-5H3,(H,16,17,18)
InChIKeySHVKJFHQFUANRR-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.46
Rot. Bonds8

About 2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol

2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80950546) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID80950546
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCCCNc1cc(N(C)CC(C)(C)O)nc(CCC)n1
InChIInChI=1S/C15H28N4O/c1-6-8-12-17-13(16-9-7-2)10-14(18-12)19(5)11-15(3,4)20/h10,20H,6-9,11H2,1-5H3,(H,16,17,18)
InChIKeySHVKJFHQFUANRR-UHFFFAOYSA-N
XLogP2.46
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80848388
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80945818
3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80943445
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
2-[ethyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 103104455
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 106772441
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 80950546) is 2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol is CCCNc1cc(N(C)CC(C)(C)O)nc(CCC)n1.
What is the InChIKey of 2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is SHVKJFHQFUANRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-8-12-17-13(16-9-7-2)10-14(18-12)19(5)11-15(3,4)20/h10,20H,6-9,11H2,1-5H3,(H,16,17,18).
What are the key properties of 2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 280.42 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80950546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).