6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine

C12H17N5 — CID 115265704

IUPAC6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccc[nH]2)ncn1
InChIInChI=1S/C12H17N5/c1-2-13-11-8-12(17-9-16-11)15-7-5-10-4-3-6-14-10/h3-4,6,8-9,14H,2,5,7H2,1H3,(H2,13,15,16,17)
InChIKeyBBAMXYHQUCROLP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.89
Rot. Bonds6

About 6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine

6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 115265704) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID115265704
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccc[nH]2)ncn1
InChIInChI=1S/C12H17N5/c1-2-13-11-8-12(17-9-16-11)15-7-5-10-4-3-6-14-10/h3-4,6,8-9,14H,2,5,7H2,1H3,(H2,13,15,16,17)
InChIKeyBBAMXYHQUCROLP-UHFFFAOYSA-N
XLogP1.89
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine
CID 75483789
4-[[6-(1H-pyrrol-2-ylmethylamino)pyrimidin-4-yl]amino]butan-2-one
CID 115265111
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379
4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine
CID 115263775
6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine
CID 75399991
2-[[6-(1H-pyrrol-2-ylmethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 115264329
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786995

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 115265704) is 6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine is CCNc1cc(NCCc2ccc[nH]2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is BBAMXYHQUCROLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-13-11-8-12(17-9-16-11)15-7-5-10-4-3-6-14-10/h3-4,6,8-9,14H,2,5,7H2,1H3,(H2,13,15,16,17).
What are the key properties of 6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 115265704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).