N-butyl-2-methylpyrimidin-4-amine

C9H15N3 — CID 62785690

IUPACN-butyl-2-methylpyrimidin-4-amine
SMILESCCCCNc1ccnc(C)n1
InChIInChI=1S/C9H15N3/c1-3-4-6-11-9-5-7-10-8(2)12-9/h5,7H,3-4,6H2,1-2H3,(H,10,11,12)
InChIKeyYLRVMPNHONPJEZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.00
Rot. Bonds4

About N-butyl-2-methylpyrimidin-4-amine

N-butyl-2-methylpyrimidin-4-amine (PubChem CID 62785690) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-butyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-methylpyrimidin-4-amine
PubChem CID62785690
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-butyl-2-methylpyrimidin-4-amine
SMILESCCCCNc1ccnc(C)n1
InChIInChI=1S/C9H15N3/c1-3-4-6-11-9-5-7-10-8(2)12-9/h5,7H,3-4,6H2,1-2H3,(H,10,11,12)
InChIKeyYLRVMPNHONPJEZ-UHFFFAOYSA-N
XLogP2.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212
N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine
CID 106308298
N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 55112617
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
CID 103462611
4-N-decylpyrimidine-2,4-diamine
CID 56985914
2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine
CID 130668363
1-N-(2-methylpyrimidin-4-yl)butane-1,3-diamine
CID 63251627
4-N-octylpyrimidine-2,4-diamine
CID 18766008
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-butyl-2-methylpyrimidin-4-amine (CID 62785690) is N-butyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-butyl-2-methylpyrimidin-4-amine is CCCCNc1ccnc(C)n1.
What is the InChIKey of N-butyl-2-methylpyrimidin-4-amine?
The InChIKey is YLRVMPNHONPJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-4-6-11-9-5-7-10-8(2)12-9/h5,7H,3-4,6H2,1-2H3,(H,10,11,12).
What are the key properties of N-butyl-2-methylpyrimidin-4-amine?
N-butyl-2-methylpyrimidin-4-amine has a molecular weight of 165.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 62785690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).