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

C12H22N4O — CID 80780616

IUPAC2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1cc(NC(C)(C)CO)nc(C)n1
InChIInChI=1S/C12H22N4O/c1-5-6-13-10-7-11(15-9(2)14-10)16-12(3,4)8-17/h7,17H,5-6,8H2,1-4H3,(H2,13,14,15,16)
InChIKeyYMIKLNSUILAJQN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.79
Rot. Bonds6

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

2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80780616) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID80780616
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1cc(NC(C)(C)CO)nc(C)n1
InChIInChI=1S/C12H22N4O/c1-5-6-13-10-7-11(15-9(2)14-10)16-12(3,4)8-17/h7,17H,5-6,8H2,1-4H3,(H2,13,14,15,16)
InChIKeyYMIKLNSUILAJQN-UHFFFAOYSA-N
XLogP1.79
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
6-hydrazinyl-2-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 80921159
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179363
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434022
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 80780616) is 2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is CCCNc1cc(NC(C)(C)CO)nc(C)n1.
What is the InChIKey of 2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is YMIKLNSUILAJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-6-13-10-7-11(15-9(2)14-10)16-12(3,4)8-17/h7,17H,5-6,8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80780616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).