N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H27N7 — CID 175136150

IUPACN-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC2CCN(C3CN(CC4CNC4)C3)CC2)c2cc[nH]c2n1
InChIInChI=1S/C18H27N7/c1-4-20-17-16(1)18(22-12-21-17)23-14-2-5-25(6-3-14)15-10-24(11-15)9-13-7-19-8-13/h1,4,12-15,19H,2-3,5-11H2,(H2,20,21,22,23)
InChIKeyJXRGWCILANLRLO-UHFFFAOYSA-N
MW341.46 g/mol
LogP0.74
Rot. Bonds5

About N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 175136150) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID175136150
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC NameN-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC2CCN(C3CN(CC4CNC4)C3)CC2)c2cc[nH]c2n1
InChIInChI=1S/C18H27N7/c1-4-20-17-16(1)18(22-12-21-17)23-14-2-5-25(6-3-14)15-10-24(11-15)9-13-7-19-8-13/h1,4,12-15,19H,2-3,5-11H2,(H2,20,21,22,23)
InChIKeyJXRGWCILANLRLO-UHFFFAOYSA-N
XLogP0.74
TPSA72.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methylpropyl)piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 136522620
N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 136522623
N-[(3R,5S)-5-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118115879
1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]propan-1-one
CID 122568954
3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidine-1-carboxylic acid
CID 118116183
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 122564166
N-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155773580
N-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162571015
N-[1-[2,2-difluoro-2-[6-[(methylidene-λ3-iodanyl)methyl]-3-pyridinyl]ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162575237
2-[(4-methylcyclohexyl)amino]-1-[(3S)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone
CID 56968326
N-[[1-prop-2-enoyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-2-yl]methyl]acetamide
CID 122683205
1-[(2S)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one
CID 155177833

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 175136150) is N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1nc(NC2CCN(C3CN(CC4CNC4)C3)CC2)c2cc[nH]c2n1.
What is the InChIKey of N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JXRGWCILANLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-4-20-17-16(1)18(22-12-21-17)23-14-2-5-25(6-3-14)15-10-24(11-15)9-13-7-19-8-13/h1,4,12-15,19H,2-3,5-11H2,(H2,20,21,22,23).
What are the key properties of N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 341.46 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(azetidin-3-ylmethyl)azetidin-3-yl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175136150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).