N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H19N3 — CID 103736761

IUPACN-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCC1(CNc2ncnc3c2CCC3)CC1
InChIInChI=1S/C13H19N3/c1-2-13(6-7-13)8-14-12-10-4-3-5-11(10)15-9-16-12/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyQOBHIGPACGTXGE-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.57
Rot. Bonds4

About N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 103736761) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID103736761
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCC1(CNc2ncnc3c2CCC3)CC1
InChIInChI=1S/C13H19N3/c1-2-13(6-7-13)8-14-12-10-4-3-5-11(10)15-9-16-12/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyQOBHIGPACGTXGE-UHFFFAOYSA-N
XLogP2.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 103736761) is N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCC1(CNc2ncnc3c2CCC3)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is QOBHIGPACGTXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-13(6-7-13)8-14-12-10-4-3-5-11(10)15-9-16-12/h9H,2-8H2,1H3,(H,14,15,16).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 217.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 103736761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).