4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine

C14H24N4 — CID 80967225

IUPAC4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)CC)nc(C2CC2)n1
InChIInChI=1S/C14H24N4/c1-5-10(3)18(4)13-9-12(15-6-2)16-14(17-13)11-7-8-11/h9-11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyNQGHTCVJWVOKOR-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.02
Rot. Bonds6

About 4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine

4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80967225) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID80967225
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)CC)nc(C2CC2)n1
InChIInChI=1S/C14H24N4/c1-5-10(3)18(4)13-9-12(15-6-2)16-14(17-13)11-7-8-11/h9-11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyNQGHTCVJWVOKOR-UHFFFAOYSA-N
XLogP3.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80967706
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80961798
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80967980
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80958227
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine
CID 80961233
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068249
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962023
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80774336
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80956049
2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 80964513
4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80949319
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine (CID 80967225) is 4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine is CCNc1cc(N(C)C(C)CC)nc(C2CC2)n1.
What is the InChIKey of 4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is NQGHTCVJWVOKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-10(3)18(4)13-9-12(15-6-2)16-14(17-13)11-7-8-11/h9-11H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).