4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine

C14H24N4O — CID 82744642

IUPAC4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)C2CCOC2C)c1C(C)C
InChIInChI=1S/C14H24N4O/c1-9(2)12-13(15-4)16-8-17-14(12)18(5)11-6-7-19-10(11)3/h8-11H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyCWPQSHMLKDEGSP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.26
Rot. Bonds4

About 4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 82744642) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID82744642
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)C2CCOC2C)c1C(C)C
InChIInChI=1S/C14H24N4O/c1-9(2)12-13(15-4)16-8-17-14(12)18(5)11-6-7-19-10(11)3/h8-11H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyCWPQSHMLKDEGSP-UHFFFAOYSA-N
XLogP2.26
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 82744642) is 4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(N(C)C2CCOC2C)c1C(C)C.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is CWPQSHMLKDEGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)12-13(15-4)16-8-17-14(12)18(5)11-6-7-19-10(11)3/h8-11H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 82744642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).