N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine

C17H30N4 — CID 107401794

IUPACN-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
SMILESCCN(CC1CCC1)c1ncc(CNCC(C)C)c(C)n1
InChIInChI=1S/C17H30N4/c1-5-21(12-15-7-6-8-15)17-19-11-16(14(4)20-17)10-18-9-13(2)3/h11,13,15,18H,5-10,12H2,1-4H3
InChIKeyOPFFTYZALNSHJS-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.16
Rot. Bonds8

About N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine

N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine (PubChem CID 107401794) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
PubChem CID107401794
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
SMILESCCN(CC1CCC1)c1ncc(CNCC(C)C)c(C)n1
InChIInChI=1S/C17H30N4/c1-5-21(12-15-7-6-8-15)17-19-11-16(14(4)20-17)10-18-9-13(2)3/h11,13,15,18H,5-10,12H2,1-4H3
InChIKeyOPFFTYZALNSHJS-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine (CID 107401794) is N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine is CCN(CC1CCC1)c1ncc(CNCC(C)C)c(C)n1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
The InChIKey is OPFFTYZALNSHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-21(12-15-7-6-8-15)17-19-11-16(14(4)20-17)10-18-9-13(2)3/h11,13,15,18H,5-10,12H2,1-4H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine has a molecular weight of 290.46 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 107401794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).