6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine

C14H23N5 — CID 91767461

IUPAC6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
SMILESNC1CC(c2cc(NCC[C@H]3CCCN3)ncn2)C1
InChIInChI=1S/C14H23N5/c15-11-6-10(7-11)13-8-14(19-9-18-13)17-5-3-12-2-1-4-16-12/h8-12,16H,1-7,15H2,(H,17,18,19)/t10?,11?,12-/m1/s1
InChIKeyPENFHLZUIXCNHD-HTAVTVPLSA-N
MW261.37 g/mol
LogP1.24
Rot. Bonds5

About 6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine (PubChem CID 91767461) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
PubChem CID91767461
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
SMILESNC1CC(c2cc(NCC[C@H]3CCCN3)ncn2)C1
InChIInChI=1S/C14H23N5/c15-11-6-10(7-11)13-8-14(19-9-18-13)17-5-3-12-2-1-4-16-12/h8-12,16H,1-7,15H2,(H,17,18,19)/t10?,11?,12-/m1/s1
InChIKeyPENFHLZUIXCNHD-HTAVTVPLSA-N
XLogP1.24
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Jnj-39758979
CID 24994634
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclopentylpyrimidin-2-amine
CID 24798232
4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994542
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777258
4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777338
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-(3-Amino-azetidin-1-yl)-6-cyclopentyl-pyrimidin-2-ylamine
CID 24797956
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 24994630
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine (CID 91767461) is 6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine is NC1CC(c2cc(NCC[C@H]3CCCN3)ncn2)C1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
The InChIKey is PENFHLZUIXCNHD-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H23N5/c15-11-6-10(7-11)13-8-14(19-9-18-13)17-5-3-12-2-1-4-16-12/h8-12,16H,1-7,15H2,(H,17,18,19)/t10?,11?,12-/m1/s1.
What are the key properties of 6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 91767461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).