2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C17H27N3 — CID 63486512

IUPAC2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCC2)nc2c1CCCCC2
InChIInChI=1S/C17H27N3/c1-2-12-18-17-14-10-4-3-5-11-15(14)19-16(20-17)13-8-6-7-9-13/h13H,2-12H2,1H3,(H,18,19,20)
InChIKeyVBVHKCBLDKEMEF-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.22
Rot. Bonds4

About 2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 63486512) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID63486512
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCC2)nc2c1CCCCC2
InChIInChI=1S/C17H27N3/c1-2-12-18-17-14-10-4-3-5-11-15(14)19-16(20-17)13-8-6-7-9-13/h13H,2-12H2,1H3,(H,18,19,20)
InChIKeyVBVHKCBLDKEMEF-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65399990
2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 65328554
2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115337222
2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 82840279
2-(2-methylcyclopropyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65421960
2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115388521
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 62191134
2-cyclopentyl-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63484737
2-(4-methylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191205
2-(3-methylcyclopentyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472620
2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728949

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 63486512) is 2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CCCNc1nc(C2CCCC2)nc2c1CCCCC2.
What is the InChIKey of 2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is VBVHKCBLDKEMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-12-18-17-14-10-4-3-5-11-15(14)19-16(20-17)13-8-6-7-9-13/h13H,2-12H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 273.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 63486512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).