4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine

C10H18N4 — CID 118973367

IUPAC4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine
SMILESCC1C=C(N[C@H]2CN[C@@H](C)C2)NC=N1
InChIInChI=1S/C10H18N4/c1-7-3-9(5-11-7)14-10-4-8(2)12-6-13-10/h4,6-9,11,14H,3,5H2,1-2H3,(H,12,13)/t7-,8?,9+/m0/s1
InChIKeyXVJIKQKVASOCQI-UBGVJBJISA-N
MW194.28 g/mol
LogP0.19
Rot. Bonds2

About 4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine

4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine (PubChem CID 118973367) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine
PubChem CID118973367
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine
SMILESCC1C=C(N[C@H]2CN[C@@H](C)C2)NC=N1
InChIInChI=1S/C10H18N4/c1-7-3-9(5-11-7)14-10-4-8(2)12-6-13-10/h4,6-9,11,14H,3,5H2,1-2H3,(H,12,13)/t7-,8?,9+/m0/s1
InChIKeyXVJIKQKVASOCQI-UBGVJBJISA-N
XLogP0.19
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine?
The IUPAC name of 4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine (CID 118973367) is 4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine.
What is the SMILES notation for 4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine?
The canonical SMILES for 4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine is CC1C=C(N[C@H]2CN[C@@H](C)C2)NC=N1.
What is the InChIKey of 4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine?
The InChIKey is XVJIKQKVASOCQI-UBGVJBJISA-N. The full InChI is InChI=1S/C10H18N4/c1-7-3-9(5-11-7)14-10-4-8(2)12-6-13-10/h4,6-9,11,14H,3,5H2,1-2H3,(H,12,13)/t7-,8?,9+/m0/s1.
What are the key properties of 4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine?
4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine has a molecular weight of 194.28 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine is sourced from PubChem (CID 118973367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).