2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine

C12H20N4O — CID 82744646

IUPAC2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)C2CCOC2C)n1
InChIInChI=1S/C12H20N4O/c1-8-7-14-12(13-3)15-11(8)16(4)10-5-6-17-9(10)2/h7,9-10H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyRKOINWAZDNBWLK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.44
Rot. Bonds3

About 2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine

2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 82744646) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID82744646
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)C2CCOC2C)n1
InChIInChI=1S/C12H20N4O/c1-8-7-14-12(13-3)15-11(8)16(4)10-5-6-17-9(10)2/h7,9-10H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyRKOINWAZDNBWLK-UHFFFAOYSA-N
XLogP1.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745879
4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745889
2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329415
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 82730336
4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 82744642
4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80836336
4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 80817728
N-methyl-5-[1-(methylamino)ethyl]-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82754018
1-[6-[methyl-(2-methyloxolan-3-yl)amino]-3-pyridinyl]ethanol
CID 82742695
[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]pyrimidin-5-yl]methanol
CID 83184634
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82744511
6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
CID 82741233

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine (CID 82744646) is 2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine is CNc1ncc(C)c(N(C)C2CCOC2C)n1.
What is the InChIKey of 2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is RKOINWAZDNBWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-7-14-12(13-3)15-11(8)16(4)10-5-6-17-9(10)2/h7,9-10H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 82744646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).