5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H23N5 — CID 146343753

IUPAC5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(c1c[nH]c2ncnc(N[C@@H]3CCCNC3)c12)C1CC1
InChIInChI=1S/C16H23N5/c1-10(11-4-5-11)13-8-18-15-14(13)16(20-9-19-15)21-12-3-2-6-17-7-12/h8-12,17H,2-7H2,1H3,(H2,18,19,20,21)/t10?,12-/m1/s1
InChIKeyNRQXMCAGOPRETH-TVKKRMFBSA-N
MW285.40 g/mol
LogP2.64
Rot. Bonds4

About 5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 146343753) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID146343753
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(c1c[nH]c2ncnc(N[C@@H]3CCCNC3)c12)C1CC1
InChIInChI=1S/C16H23N5/c1-10(11-4-5-11)13-8-18-15-14(13)16(20-9-19-15)21-12-3-2-6-17-7-12/h8-12,17H,2-7H2,1H3,(H2,18,19,20,21)/t10?,12-/m1/s1
InChIKeyNRQXMCAGOPRETH-TVKKRMFBSA-N
XLogP2.64
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-(1-cyclopropylethyl)-N-[(1R)-3-(imino-λ3-iodanyl)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166016268
tert-butyl 3-[[5-(1-cyclopropylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 146365336
5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride
CID 146343759
5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 146343863
ethyl 4-[[(3R)-piperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 146361976
cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
CID 146343885
cyclopropyl-[4-[[(3R)-piperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
CID 146343881
oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 146343666
5-bromo-6-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 83844973
6-methoxy-5-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66332962
5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146365470
N-[(3S)-azepan-3-yl]-7H-purin-6-amine
CID 167844435

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 146343753) is 5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(c1c[nH]c2ncnc(N[C@@H]3CCCNC3)c12)C1CC1.
What is the InChIKey of 5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NRQXMCAGOPRETH-TVKKRMFBSA-N. The full InChI is InChI=1S/C16H23N5/c1-10(11-4-5-11)13-8-18-15-14(13)16(20-9-19-15)21-12-3-2-6-17-7-12/h8-12,17H,2-7H2,1H3,(H2,18,19,20,21)/t10?,12-/m1/s1.
What are the key properties of 5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 285.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146343753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).