2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine

C14H20N4 — CID 103341934

IUPAC2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc[nH]2)nc(C(C)C)n1
InChIInChI=1S/C14H20N4/c1-4-7-16-13-9-12(11-6-5-8-15-11)17-14(18-13)10(2)3/h5-6,8-10,15H,4,7H2,1-3H3,(H,16,17,18)
InChIKeyXVSOBKZZBOCXNC-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.42
Rot. Bonds5

About 2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine

2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine (PubChem CID 103341934) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
PubChem CID103341934
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc[nH]2)nc(C(C)C)n1
InChIInChI=1S/C14H20N4/c1-4-7-16-13-9-12(11-6-5-8-15-11)17-14(18-13)10(2)3/h5-6,8-10,15H,4,7H2,1-3H3,(H,16,17,18)
InChIKeyXVSOBKZZBOCXNC-UHFFFAOYSA-N
XLogP3.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 115503957
6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
N-propyl-6-(1H-pyrrol-2-yl)pyrazin-2-amine
CID 103341800
6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948247
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80949110
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952418
6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952057
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine (CID 103341934) is 2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine is CCCNc1cc(-c2ccc[nH]2)nc(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
The InChIKey is XVSOBKZZBOCXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-7-16-13-9-12(11-6-5-8-15-11)17-14(18-13)10(2)3/h5-6,8-10,15H,4,7H2,1-3H3,(H,16,17,18).
What are the key properties of 2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine has a molecular weight of 244.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 103341934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).