N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine

C14H24N4 — CID 114216358

IUPACN-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine
SMILESCCCNCc1cncnc1N(CC)CC1CC1
InChIInChI=1S/C14H24N4/c1-3-7-15-8-13-9-16-11-17-14(13)18(4-2)10-12-5-6-12/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyMCUYAPNEQVJGHE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.21
Rot. Bonds8

About N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine

N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine (PubChem CID 114216358) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine
PubChem CID114216358
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine
SMILESCCCNCc1cncnc1N(CC)CC1CC1
InChIInChI=1S/C14H24N4/c1-3-7-15-8-13-9-16-11-17-14(13)18(4-2)10-12-5-6-12/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyMCUYAPNEQVJGHE-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.21
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

N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114215953
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine
CID 114216445
N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 107399952
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 114216052
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186228
4-N-(cyclopropylmethyl)-4-N-ethyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839740
N,N-bis(cyclopropylmethyl)-6-(propylaminomethyl)pyrazin-2-amine
CID 66451704
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80636301
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216105
N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 114216063
4-chloro-N,N-bis(cyclopropylmethyl)-2-(propylaminomethyl)aniline
CID 114851666

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine (CID 114216358) is N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine is CCCNCc1cncnc1N(CC)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine?
The InChIKey is MCUYAPNEQVJGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-7-15-8-13-9-16-11-17-14(13)18(4-2)10-12-5-6-12/h9,11-12,15H,3-8,10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine?
N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine is sourced from PubChem (CID 114216358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).