4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine

C22H24N10O — CID 11328239

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC[C@H]2c2cc(-c3cnccn3)no2)n1
InChIInChI=1S/C22H24N10O/c1-23-19-11-20(26-21-10-14(29-30-21)13-4-5-13)28-22(27-19)32-8-2-3-17(32)18-9-15(31-33-18)16-12-24-6-7-25-16/h6-7,9-13,17H,2-5,8H2,1H3,(H3,23,26,27,28,29,30)/t17-/m0/s1
InChIKeyMNLUUWRQMXKPAW-KRWDZBQOSA-N
MW444.50 g/mol
LogP3.65
Rot. Bonds7

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine (PubChem CID 11328239) has the molecular formula C22H24N10O and a molecular weight of 444.50 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine
PubChem CID11328239
Molecular FormulaC22H24N10O
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC[C@H]2c2cc(-c3cnccn3)no2)n1
InChIInChI=1S/C22H24N10O/c1-23-19-11-20(26-21-10-14(29-30-21)13-4-5-13)28-22(27-19)32-8-2-3-17(32)18-9-15(31-33-18)16-12-24-6-7-25-16/h6-7,9-13,17H,2-5,8H2,1H3,(H3,23,26,27,28,29,30)/t17-/m0/s1
InChIKeyMNLUUWRQMXKPAW-KRWDZBQOSA-N
XLogP3.65
TPSA133.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine (CID 11328239) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine is CNc1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC[C@H]2c2cc(-c3cnccn3)no2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?
The InChIKey is MNLUUWRQMXKPAW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N10O/c1-23-19-11-20(26-21-10-14(29-30-21)13-4-5-13)28-22(27-19)32-8-2-3-17(32)18-9-15(31-33-18)16-12-24-6-7-25-16/h6-7,9-13,17H,2-5,8H2,1H3,(H3,23,26,27,28,29,30)/t17-/m0/s1.
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine has a molecular weight of 444.50 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-methyl-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 11328239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).