2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine

C18H22FN9O2 — CID 16659677

IUPAC2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(N3CCOCC3)nc(N[C@@H](C)c3ncc(F)cn3)n2)[nH]n1
InChIInChI=1S/C18H22FN9O2/c1-11(17-20-9-12(19)10-21-17)22-18-24-13(23-14-8-16(29-2)27-26-14)7-15(25-18)28-3-5-30-6-4-28/h7-11H,3-6H2,1-2H3,(H3,22,23,24,25,26,27)/t11-/m0/s1
InChIKeyQVRNOZLSUAECTA-NSHDSACASA-N
MW415.43 g/mol
LogP1.89
Rot. Bonds7

About 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine

2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 16659677) has the molecular formula C18H22FN9O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID16659677
Molecular FormulaC18H22FN9O2
Molecular Weight415.43 g/mol
Exact Mass415.19
IUPAC Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(N3CCOCC3)nc(N[C@@H](C)c3ncc(F)cn3)n2)[nH]n1
InChIInChI=1S/C18H22FN9O2/c1-11(17-20-9-12(19)10-21-17)22-18-24-13(23-14-8-16(29-2)27-26-14)7-15(25-18)28-3-5-30-6-4-28/h7-11H,3-6H2,1-2H3,(H3,22,23,24,25,26,27)/t11-/m0/s1
InChIKeyQVRNOZLSUAECTA-NSHDSACASA-N
XLogP1.89
TPSA126.00 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 16659677) is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine is COc1cc(Nc2cc(N3CCOCC3)nc(N[C@@H](C)c3ncc(F)cn3)n2)[nH]n1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is QVRNOZLSUAECTA-NSHDSACASA-N. The full InChI is InChI=1S/C18H22FN9O2/c1-11(17-20-9-12(19)10-21-17)22-18-24-13(23-14-8-16(29-2)27-26-14)7-15(25-18)28-3-5-30-6-4-28/h7-11H,3-6H2,1-2H3,(H3,22,23,24,25,26,27)/t11-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 415.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 16659677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).