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

C11H18N4O — CID 82745889

IUPAC4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N(C)C1CCOC1C
InChIInChI=1S/C11H18N4O/c1-7-6-13-11(12)14-10(7)15(3)9-4-5-16-8(9)2/h6,8-9H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyHLYCUXQTRCRBGN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.98
Rot. Bonds2

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

4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 82745889) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID82745889
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N(C)C1CCOC1C
InChIInChI=1S/C11H18N4O/c1-7-6-13-11(12)14-10(7)15(3)9-4-5-16-8(9)2/h6,8-9H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyHLYCUXQTRCRBGN-UHFFFAOYSA-N
XLogP0.98
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82744646
6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
CID 82741233
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 82730336
5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine
CID 113388563
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82745998
5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745879
6-methoxy-2-N-methyl-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 82745541
[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]pyrimidin-5-yl]methanol
CID 83184634
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322269
4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 82745772
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 114195297
1-[6-[methyl-(2-methyloxolan-3-yl)amino]-3-pyridinyl]ethanol
CID 82742695

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine (CID 82745889) is 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine is Cc1cnc(N)nc1N(C)C1CCOC1C.
What is the InChIKey of 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is HLYCUXQTRCRBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-6-13-11(12)14-10(7)15(3)9-4-5-16-8(9)2/h6,8-9H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 222.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 82745889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).