5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride

C15H22ClN5 — CID 146343759

IUPAC5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride
SMILES[Cl-].[H+].c1nc(N[C@@H]2CCCNC2)c2c(CC3CC3)c[nH]c2n1
InChIInChI=1S/C15H21N5.ClH/c1-2-12(8-16-5-1)20-15-13-11(6-10-3-4-10)7-17-14(13)18-9-19-15;/h7,9-10,12,16H,1-6,8H2,(H2,17,18,19,20);1H/t12-;/m1./s1
InChIKeyFKEDNDDVIHUPLY-UTONKHPSSA-N
MW307.83 g/mol
LogP-0.81
Rot. Bonds4

About 5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride

5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride (PubChem CID 146343759) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride
PubChem CID146343759
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride
SMILES[Cl-].[H+].c1nc(N[C@@H]2CCCNC2)c2c(CC3CC3)c[nH]c2n1
InChIInChI=1S/C15H21N5.ClH/c1-2-12(8-16-5-1)20-15-13-11(6-10-3-4-10)7-17-14(13)18-9-19-15;/h7,9-10,12,16H,1-6,8H2,(H2,17,18,19,20);1H/t12-;/m1./s1
InChIKeyFKEDNDDVIHUPLY-UTONKHPSSA-N
XLogP-0.81
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride with MolForge

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Related Compounds

5-(cyclobutylmethyl)-N-piperidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 146343863
5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146343753
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
N-[(3S)-azepan-3-yl]-7H-purin-6-amine
CID 167844435
5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167933059
cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
CID 167830463
3-(azepan-3-ylamino)-1H-pyrazin-2-one
CID 114570966
5-ethyl-N-(4-methoxy-4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167913724

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride?
The IUPAC name of 5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride (CID 146343759) is 5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride.
What is the SMILES notation for 5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride?
The canonical SMILES for 5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride is [Cl-].[H+].c1nc(N[C@@H]2CCCNC2)c2c(CC3CC3)c[nH]c2n1.
What is the InChIKey of 5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride?
The InChIKey is FKEDNDDVIHUPLY-UTONKHPSSA-N. The full InChI is InChI=1S/C15H21N5.ClH/c1-2-12(8-16-5-1)20-15-13-11(6-10-3-4-10)7-17-14(13)18-9-19-15;/h7,9-10,12,16H,1-6,8H2,(H2,17,18,19,20);1H/t12-;/m1./s1.
What are the key properties of 5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride?
5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride has a molecular weight of 307.83 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydron;chloride is sourced from PubChem (CID 146343759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).