2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile

C19H17N9 — CID 152860826

IUPAC2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2ccccc12
InChIInChI=1S/C19H17N9/c1-11(24-18-14(9-20)17(21)25-19(22)26-18)16-13-6-2-3-7-15(13)28(27-16)12-5-4-8-23-10-12/h2-8,10-11H,1H3,(H5,21,22,24,25,26)/t11-/m0/s1
InChIKeyTXMOMLZSKVGPJC-NSHDSACASA-N
MW371.41 g/mol
LogP2.42
Rot. Bonds4

About 2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile

2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 152860826) has the molecular formula C19H17N9 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
PubChem CID152860826
Molecular FormulaC19H17N9
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2ccccc12
InChIInChI=1S/C19H17N9/c1-11(24-18-14(9-20)17(21)25-19(22)26-18)16-13-6-2-3-7-15(13)28(27-16)12-5-4-8-23-10-12/h2-8,10-11H,1H3,(H5,21,22,24,25,26)/t11-/m0/s1
InChIKeyTXMOMLZSKVGPJC-NSHDSACASA-N
XLogP2.42
TPSA144.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile (CID 152860826) is 2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile is C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2ccccc12.
What is the InChIKey of 2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is TXMOMLZSKVGPJC-NSHDSACASA-N. The full InChI is InChI=1S/C19H17N9/c1-11(24-18-14(9-20)17(21)25-19(22)26-18)16-13-6-2-3-7-15(13)28(27-16)12-5-4-8-23-10-12/h2-8,10-11H,1H3,(H5,21,22,24,25,26)/t11-/m0/s1.
What are the key properties of 2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 371.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 152860826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).