6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

C18H29N7 — CID 56780916

IUPAC6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2cn[nH]c2C(C)(C)C)ncn1
InChIInChI=1S/C18H29N7/c1-18(2,3)17-13(10-23-24-17)9-20-11-14-6-5-7-25(14)16-8-15(19-4)21-12-22-16/h8,10,12,14,20H,5-7,9,11H2,1-4H3,(H,23,24)(H,19,21,22)
InChIKeyWJUXDZOHCOJSKQ-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.30
Rot. Bonds6

About 6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 56780916) has the molecular formula C18H29N7 and a molecular weight of 343.48 g/mol. Its IUPAC name is 6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID56780916
Molecular FormulaC18H29N7
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC Name6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2cn[nH]c2C(C)(C)C)ncn1
InChIInChI=1S/C18H29N7/c1-18(2,3)17-13(10-23-24-17)9-20-11-14-6-5-7-25(14)16-8-15(19-4)21-12-22-16/h8,10,12,14,20H,5-7,9,11H2,1-4H3,(H,23,24)(H,19,21,22)
InChIKeyWJUXDZOHCOJSKQ-UHFFFAOYSA-N
XLogP2.30
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine with MolForge

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Related Compounds

5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidine-2,4-diamine
CID 60154332
2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 122178555
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
4-N-ethyl-2-N-[3-methyl-1-[2-(2-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092410
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-isopentyl-pyrimidine-2,4-diamine
CID 70683297
N2-cyclohexyl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 70689607
N2-cyclopentyl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 70689609
2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 122178551
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 25130233
4-N-ethyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093259
US9932325, Example 15
CID 69281631
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)propyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190898

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (CID 56780916) is 6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is CNc1cc(N2CCCC2CNCc2cn[nH]c2C(C)(C)C)ncn1.
What is the InChIKey of 6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is WJUXDZOHCOJSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7/c1-18(2,3)17-13(10-23-24-17)9-20-11-14-6-5-7-25(14)16-8-15(19-4)21-12-22-16/h8,10,12,14,20H,5-7,9,11H2,1-4H3,(H,23,24)(H,19,21,22).
What are the key properties of 6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 343.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 56780916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).