N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine

C16H28N4 — CID 83186228

IUPACN-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(CCC)CC2CC2)nc1C
InChIInChI=1S/C16H28N4/c1-4-8-17-10-15-11-18-16(19-13(15)3)20(9-5-2)12-14-6-7-14/h11,14,17H,4-10,12H2,1-3H3
InChIKeyXCUCHGAEQQFREO-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.91
Rot. Bonds9

About N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine

N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine (PubChem CID 83186228) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
PubChem CID83186228
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(CCC)CC2CC2)nc1C
InChIInChI=1S/C16H28N4/c1-4-8-17-10-15-11-18-16(19-13(15)3)20(9-5-2)12-14-6-7-14/h11,14,17H,4-10,12H2,1-3H3
InChIKeyXCUCHGAEQQFREO-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
N-cyclopropyl-N-(2-methoxyethyl)-4-methyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185808
N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 107401794
N-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83189085
N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 83185920
5-(aminomethyl)-N,N-bis(cyclopropylmethyl)-4-methylpyrimidin-2-amine
CID 83186265
N,4-dimethyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83189478
N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83178527
N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185277
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138
2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,5-diamine
CID 61146606

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine (CID 83186228) is N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine is CCCNCc1cnc(N(CCC)CC2CC2)nc1C.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine?
The InChIKey is XCUCHGAEQQFREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-8-17-10-15-11-18-16(19-13(15)3)20(9-5-2)12-14-6-7-14/h11,14,17H,4-10,12H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine?
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine is sourced from PubChem (CID 83186228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).