4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C17H27N5 — CID 66903038

IUPAC4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESC1CCCN(c2nc(NC3CCNC3)nc3c2CCC3)CC1
InChIInChI=1S/C17H27N5/c1-2-4-11-22(10-3-1)16-14-6-5-7-15(14)20-17(21-16)19-13-8-9-18-12-13/h13,18H,1-12H2,(H,19,20,21)
InChIKeyXUCNRLSHMIQTBI-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.12
Rot. Bonds3

About 4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 66903038) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID66903038
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESC1CCCN(c2nc(NC3CCNC3)nc3c2CCC3)CC1
InChIInChI=1S/C17H27N5/c1-2-4-11-22(10-3-1)16-14-6-5-7-15(14)20-17(21-16)19-13-8-9-18-12-13/h13,18H,1-12H2,(H,19,20,21)
InChIKeyXUCNRLSHMIQTBI-UHFFFAOYSA-N
XLogP2.12
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 66903038) is 4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is C1CCCN(c2nc(NC3CCNC3)nc3c2CCC3)CC1.
What is the InChIKey of 4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is XUCNRLSHMIQTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-2-4-11-22(10-3-1)16-14-6-5-7-15(14)20-17(21-16)19-13-8-9-18-12-13/h13,18H,1-12H2,(H,19,20,21).
What are the key properties of 4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 301.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 66903038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).