4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol

C15H28N4O — CID 107159611

IUPAC4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCCNc1nc(C)cc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-7-16-14-18-11(2)8-13(19-14)17-10-12(20)9-15(3,4)5/h8,12,20H,6-7,9-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyFGCKJPYEONUAKC-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.82
Rot. Bonds7

About 4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol

4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 107159611) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID107159611
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCCNc1nc(C)cc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-7-16-14-18-11(2)8-13(19-14)17-10-12(20)9-15(3,4)5/h8,12,20H,6-7,9-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyFGCKJPYEONUAKC-UHFFFAOYSA-N
XLogP2.82
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159619
1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159512
4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 113478373
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842663
6-methyl-2-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106433956
4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80790337
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094119
4-[2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776172
N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80814000

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol (CID 107159611) is 4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol is CCCNc1nc(C)cc(NCC(O)CC(C)(C)C)n1.
What is the InChIKey of 4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is FGCKJPYEONUAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-7-16-14-18-11(2)8-13(19-14)17-10-12(20)9-15(3,4)5/h8,12,20H,6-7,9-10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 280.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 107159611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).