2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine

C19H26N4O — CID 112870088

IUPAC2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCC2CCCO2)cc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C19H26N4O/c1-13(2)16-8-4-5-9-17(16)23-19-11-18(21-14(3)22-19)20-12-15-7-6-10-24-15/h4-5,8-9,11,13,15H,6-7,10,12H2,1-3H3,(H2,20,21,22,23)
InChIKeyVNVRONHQORLPGX-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.24
Rot. Bonds6

About 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine

2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112870088) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112870088
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCC2CCCO2)cc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C19H26N4O/c1-13(2)16-8-4-5-9-17(16)23-19-11-18(21-14(3)22-19)20-12-15-7-6-10-24-15/h4-5,8-9,11,13,15H,6-7,10,12H2,1-3H3,(H2,20,21,22,23)
InChIKeyVNVRONHQORLPGX-UHFFFAOYSA-N
XLogP4.24
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,5-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870079
methyl 2-[[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112870128
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870102
2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870060
4-N-(2-ethoxyphenyl)-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880675
4-N-(3-chloro-2-methylphenyl)-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880667
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870105
2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112870136
4-N-(4-chloro-2-methylphenyl)-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880669
6-(oxolan-2-ylmethylamino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109343791
6-[2,6-di(propan-2-yl)anilino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 112870088) is 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is Cc1nc(NCC2CCCO2)cc(Nc2ccccc2C(C)C)n1.
What is the InChIKey of 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is VNVRONHQORLPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)16-8-4-5-9-17(16)23-19-11-18(21-14(3)22-19)20-12-15-7-6-10-24-15/h4-5,8-9,11,13,15H,6-7,10,12H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 326.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112870088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).