N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C19H28N6 — CID 71836275

IUPACN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCn1ncc(CN2CCC(Nc3ncnc4c3CCC4)CC2)c1C
InChIInChI=1S/C19H28N6/c1-3-25-14(2)15(11-22-25)12-24-9-7-16(8-10-24)23-19-17-5-4-6-18(17)20-13-21-19/h11,13,16H,3-10,12H2,1-2H3,(H,20,21,23)
InChIKeyBEXKWZWVNABNOV-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.57
Rot. Bonds5

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

N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 71836275) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID71836275
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCn1ncc(CN2CCC(Nc3ncnc4c3CCC4)CC2)c1C
InChIInChI=1S/C19H28N6/c1-3-25-14(2)15(11-22-25)12-24-9-7-16(8-10-24)23-19-17-5-4-6-18(17)20-13-21-19/h11,13,16H,3-10,12H2,1-2H3,(H,20,21,23)
InChIKeyBEXKWZWVNABNOV-UHFFFAOYSA-N
XLogP2.57
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 71836275) is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCn1ncc(CN2CCC(Nc3ncnc4c3CCC4)CC2)c1C.
What is the InChIKey of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is BEXKWZWVNABNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-3-25-14(2)15(11-22-25)12-24-9-7-16(8-10-24)23-19-17-5-4-6-18(17)20-13-21-19/h11,13,16H,3-10,12H2,1-2H3,(H,20,21,23).
What are the key properties of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 340.48 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 71836275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).