6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine

C19H26N6 — CID 91786856

IUPAC6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESNc1nc(N[C@H]2CCN(Cc3ccccc3)C2)cc(C2CC(N)C2)n1
InChIInChI=1S/C19H26N6/c20-15-8-14(9-15)17-10-18(24-19(21)23-17)22-16-6-7-25(12-16)11-13-4-2-1-3-5-13/h1-5,10,14-16H,6-9,11-12,20H2,(H3,21,22,23,24)/t14?,15?,16-/m0/s1
InChIKeyCAIFBFRMACVCDY-GPANFISMSA-N
MW338.46 g/mol
LogP1.95
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 91786856) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine
PubChem CID91786856
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESNc1nc(N[C@H]2CCN(Cc3ccccc3)C2)cc(C2CC(N)C2)n1
InChIInChI=1S/C19H26N6/c20-15-8-14(9-15)17-10-18(24-19(21)23-17)22-16-6-7-25(12-16)11-13-4-2-1-3-5-13/h1-5,10,14-16H,6-9,11-12,20H2,(H3,21,22,23,24)/t14?,15?,16-/m0/s1
InChIKeyCAIFBFRMACVCDY-GPANFISMSA-N
XLogP1.95
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113
6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91784992
6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 91789180
6-(3-aminocyclobutyl)-4-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrimidine-2,4-diamine;dihydrochloride
CID 154903305
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 95719332
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine
CID 71199842

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine (CID 91786856) is 6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine is Nc1nc(N[C@H]2CCN(Cc3ccccc3)C2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is CAIFBFRMACVCDY-GPANFISMSA-N. The full InChI is InChI=1S/C19H26N6/c20-15-8-14(9-15)17-10-18(24-19(21)23-17)22-16-6-7-25(12-16)11-13-4-2-1-3-5-13/h1-5,10,14-16H,6-9,11-12,20H2,(H3,21,22,23,24)/t14?,15?,16-/m0/s1.
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 338.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91786856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).