2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine

C15H24N4O2 — CID 104767445

IUPAC2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2(OC)CCOC2)nc(C2CC2)n1
InChIInChI=1S/C15H24N4O2/c1-3-16-12-8-13(19-14(18-12)11-4-5-11)17-9-15(20-2)6-7-21-10-15/h8,11H,3-7,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyXFRGNAXLWJYAPM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.00
Rot. Bonds7

About 2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 104767445) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID104767445
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2(OC)CCOC2)nc(C2CC2)n1
InChIInChI=1S/C15H24N4O2/c1-3-16-12-8-13(19-14(18-12)11-4-5-11)17-9-15(20-2)6-7-21-10-15/h8,11H,3-7,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyXFRGNAXLWJYAPM-UHFFFAOYSA-N
XLogP2.00
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 104767328
6-hydrazinyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 104767560
2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine
CID 133400059
4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 104767329
6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102721097
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
CID 104705608
2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid
CID 104762268
2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767963
methyl 4-[(3-methoxyoxolan-3-yl)methylamino]pyrimidine-2-carboxylate
CID 104762745
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 114072689
6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104765482

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine (CID 104767445) is 2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine is CCNc1cc(NCC2(OC)CCOC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is XFRGNAXLWJYAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-16-12-8-13(19-14(18-12)11-4-5-11)17-9-15(20-2)6-7-21-10-15/h8,11H,3-7,9-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 292.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 104767445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).