6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine

C16H23N7 — CID 91769542

IUPAC6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCC2(Cn3cccn3)CC2)cc(C2CC(N)C2)n1
InChIInChI=1S/C16H23N7/c17-12-6-11(7-12)13-8-14(22-15(18)21-13)19-9-16(2-3-16)10-23-5-1-4-20-23/h1,4-5,8,11-12H,2-3,6-7,9-10,17H2,(H3,18,19,21,22)
InChIKeyVBZUTDITKRNHLF-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.35
Rot. Bonds6

About 6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine (PubChem CID 91769542) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine
PubChem CID91769542
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCC2(Cn3cccn3)CC2)cc(C2CC(N)C2)n1
InChIInChI=1S/C16H23N7/c17-12-6-11(7-12)13-8-14(22-15(18)21-13)19-9-16(2-3-16)10-23-5-1-4-20-23/h1,4-5,8,11-12H,2-3,6-7,9-10,17H2,(H3,18,19,21,22)
InChIKeyVBZUTDITKRNHLF-UHFFFAOYSA-N
XLogP1.35
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154902085
6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine
CID 91763674
6-(3-aminocyclobutyl)-4-N-[3-(pyridin-3-ylamino)propyl]pyrimidine-2,4-diamine
CID 91779112
4-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]butan-1-ol
CID 91792554
6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154903434
6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154903345
6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
6-(3-aminocyclobutyl)-4-N-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine
CID 91787226
6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 91789180
6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902821
6-(3-aminocyclobutyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 91792566
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N-phenylpropanamide
CID 91791293

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine (CID 91769542) is 6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine is Nc1nc(NCC2(Cn3cccn3)CC2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is VBZUTDITKRNHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c17-12-6-11(7-12)13-8-14(22-15(18)21-13)19-9-16(2-3-16)10-23-5-1-4-20-23/h1,4-5,8,11-12H,2-3,6-7,9-10,17H2,(H3,18,19,21,22).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 313.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91769542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).