4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine

C12H19N5 — CID 4006409

IUPAC4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(CN2CCCCC2)c2c(n1)NCC2
InChIInChI=1S/C12H19N5/c13-12-15-10(8-17-6-2-1-3-7-17)9-4-5-14-11(9)16-12/h1-8H2,(H3,13,14,15,16)
InChIKeyNOIKAEHVKPMCEQ-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.01
Rot. Bonds2

About 4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine

4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 4006409) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID4006409
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(CN2CCCCC2)c2c(n1)NCC2
InChIInChI=1S/C12H19N5/c13-12-15-10(8-17-6-2-1-3-7-17)9-4-5-14-11(9)16-12/h1-8H2,(H3,13,14,15,16)
InChIKeyNOIKAEHVKPMCEQ-UHFFFAOYSA-N
XLogP1.01
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperidin-1-ylmethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
CID 3317451
6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 130685335
6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride
CID 173115368
4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115103996
4-(piperidin-1-ylmethyl)thiadiazol-5-amine
CID 62184620
1-(3-chloro-4-methylphenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5104722
8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 10125215
(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 122456413
1-(4-chlorophenyl)-3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4618319
4,6-bis(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine
CID 174751032
2-(piperidin-1-ylmethyl)pyrimidin-4-amine
CID 82278529
4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine
CID 105466429

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 4006409) is 4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine is Nc1nc(CN2CCCCC2)c2c(n1)NCC2.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is NOIKAEHVKPMCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-12-15-10(8-17-6-2-1-3-7-17)9-4-5-14-11(9)16-12/h1-8H2,(H3,13,14,15,16).
What are the key properties of 4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 4006409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).