4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine

C12H22N4 — CID 80782465

IUPAC4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)C(C)CC)ncn1
InChIInChI=1S/C12H22N4/c1-5-10(4)16(7-3)12-8-11(13-6-2)14-9-15-12/h8-10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyIGGFRDAILNCNIS-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.53
Rot. Bonds6

About 4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine

4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine (PubChem CID 80782465) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine
PubChem CID80782465
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)C(C)CC)ncn1
InChIInChI=1S/C12H22N4/c1-5-10(4)16(7-3)12-8-11(13-6-2)14-9-15-12/h8-10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyIGGFRDAILNCNIS-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810507
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80815004
4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80775376
3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80811502
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80850356
4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80814654
2-[cyanomethyl-[6-(ethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80753559
4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80835345
6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80804570
4-N,6-N-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80809064
6-N-ethyl-4-N-methyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 115265672

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine (CID 80782465) is 4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine is CCNc1cc(N(CC)C(C)CC)ncn1.
What is the InChIKey of 4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine?
The InChIKey is IGGFRDAILNCNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-10(4)16(7-3)12-8-11(13-6-2)14-9-15-12/h8-10H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine?
4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.53, 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-4-N,6-N-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80782465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).