6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine

C17H29N5 — CID 91787840

IUPAC6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine
SMILESCCN(C)C1(CNc2cc(C3CC(N)C3)ncn2)CCCC1
InChIInChI=1S/C17H29N5/c1-3-22(2)17(6-4-5-7-17)11-19-16-10-15(20-12-21-16)13-8-14(18)9-13/h10,12-14H,3-9,11,18H2,1-2H3,(H,19,20,21)
InChIKeyJCAFUYOERBSXLY-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.36
Rot. Bonds6

About 6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine (PubChem CID 91787840) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine
PubChem CID91787840
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine
SMILESCCN(C)C1(CNc2cc(C3CC(N)C3)ncn2)CCCC1
InChIInChI=1S/C17H29N5/c1-3-22(2)17(6-4-5-7-17)11-19-16-10-15(20-12-21-16)13-8-14(18)9-13/h10,12-14H,3-9,11,18H2,1-2H3,(H,19,20,21)
InChIKeyJCAFUYOERBSXLY-UHFFFAOYSA-N
XLogP2.36
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine (CID 91787840) is 6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine is CCN(C)C1(CNc2cc(C3CC(N)C3)ncn2)CCCC1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine?
The InChIKey is JCAFUYOERBSXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-3-22(2)17(6-4-5-7-17)11-19-16-10-15(20-12-21-16)13-8-14(18)9-13/h10,12-14H,3-9,11,18H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine has a molecular weight of 303.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 91787840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).