2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine

C12H20N4O — CID 114131301

IUPAC2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCCC2CCOC2)n1
InChIInChI=1S/C12H20N4O/c1-9-7-15-12(13-2)16-11(9)14-5-3-10-4-6-17-8-10/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyWVPTZAQZDOAHFX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.67
Rot. Bonds5

About 2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine

2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 114131301) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID114131301
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCCC2CCOC2)n1
InChIInChI=1S/C12H20N4O/c1-9-7-15-12(13-2)16-11(9)14-5-3-10-4-6-17-8-10/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyWVPTZAQZDOAHFX-UHFFFAOYSA-N
XLogP1.67
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine (CID 114131301) is 2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine is CNc1ncc(C)c(NCCC2CCOC2)n1.
What is the InChIKey of 2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is WVPTZAQZDOAHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-7-15-12(13-2)16-11(9)14-5-3-10-4-6-17-8-10/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114131301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).