N-pentyl-6-propan-2-ylpyrimidin-4-amine

C12H21N3 — CID 61239397

IUPACN-pentyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCCCCNc1cc(C(C)C)ncn1
InChIInChI=1S/C12H21N3/c1-4-5-6-7-13-12-8-11(10(2)3)14-9-15-12/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyKOZXFBXLUAMPII-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.20
Rot. Bonds6

About N-pentyl-6-propan-2-ylpyrimidin-4-amine

N-pentyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 61239397) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-pentyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-pentyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID61239397
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-pentyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCCCCNc1cc(C(C)C)ncn1
InChIInChI=1S/C12H21N3/c1-4-5-6-7-13-12-8-11(10(2)3)14-9-15-12/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyKOZXFBXLUAMPII-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-pentyl-6-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 107844656
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
CID 103704412
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine
CID 72838162
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 62614721
6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112864112
6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
CID 113412986
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623

Frequently Asked Questions

What is the IUPAC name of N-pentyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-pentyl-6-propan-2-ylpyrimidin-4-amine (CID 61239397) is N-pentyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-pentyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-pentyl-6-propan-2-ylpyrimidin-4-amine is CCCCCNc1cc(C(C)C)ncn1.
What is the InChIKey of N-pentyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is KOZXFBXLUAMPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-5-6-7-13-12-8-11(10(2)3)14-9-15-12/h8-10H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-pentyl-6-propan-2-ylpyrimidin-4-amine?
N-pentyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 61239397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).